1,4-Bis(4-chlorophenyl)butane-1,4-dione

Base Information

• Chemical Name: 1,4-Bis(4-chlorophenyl)butane-1,4-dione
• CAS No.: 24314-35-0
• Molecular Formula: C16H12 Cl2 O2
• Molecular Weight: 307.176
• Hs Code.: 2914700090
• NSC Number: 44501
• DSSTox Substance ID: DTXSID70286258
• Nikkaji Number: J461.757F
• Wikidata: Q82021927
• Mol file: 24314-35-0.mol

Synonyms:1,4-bis(4-chlorophenyl)butane-1,4-dione;24314-35-0;NSC44501;SCHEMBL16552727;DTXSID70286258;NSC-44501

Chemical Property of 1,4-Bis(4-chlorophenyl)butane-1,4-dione

Chemical Property:

• Vapor Pressure: 6.78E-09mmHg at 25°C
• Boiling Point: 467°Cat760mmHg
• Flash Point: 196.4°C
• PSA: 34.14000
• Density: 1.294g/cm³
• LogP: 4.83920
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 306.0214350
• Heavy Atom Count: 20
• Complexity: 306

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)CCC(=O)C2=CC=C(C=C2)Cl)Cl

Technology Process of 1,4-Bis(4-chlorophenyl)butane-1,4-dione

There total 30 articles about 1,4-Bis(4-chlorophenyl)butane-1,4-dione which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

(E)-1,4-bis(4-chlorophenyl)but-2-ene-1,4-dione (5465-37-2,15331-50-7,27297-60-5) → 1,4-bis(4-chlorophenyl)butane-1,4-dione (24314-35-0)

Guidance literature:

With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; trifluoroacetic acid; In chloroform; at 20 ℃; for 12h;

DOI:10.1002/anie.201600807

Reference yield: 85.0%

C18H18Cl2N6O2 (93298-10-3) → 1,4-bis(4-chlorophenyl)butane-1,4-dione (24314-35-0)

Guidance literature:

With hydrogenchloride; mercury dichloride; for 6h; Heating;

DOI:10.1055/s-1984-30904

Reference yield: 82.0%

3-(4-chlorobenzoyl)acrylic acid (29582-39-6,6269-33-6) + 4-chlorobenzaldehyde (104-88-1) → 1,4-bis(4-chlorophenyl)butane-1,4-dione (24314-35-0)

Guidance literature:

With sodium carbonate; triethylamine; 3,4-dimethyl-5-(2-hydroxyethyl)thiazolium iodide; In ethanol; at 80 ℃; for 6h;

upstream raw materials:

(E)-1,4-bis(4-chlorophenyl)but-2-ene-1,4-dione

(Z)-1,4-bis(4-chlorophenyl)but-2-ene-1,4-dione

((1-(4-chlorophenyl)vinyl)oxy)trimethylsilane

Divinyl sulfone

Downstream raw materials:

2,5-bis-(4-chlorophenyl)furan

C₁₆H₁₂Cl₂

(E)-1,4-bis(4-chlorophenyl)but-2-ene-1,4-dione

para-chlorobenzoic acid